(5-chloranyl-2-methoxy-phenyl)-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]methanone

Systemtic Name: (5-chloranyl-2-methoxy-phenyl)-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]methanone Openeye Name: (5-chloro-2-methoxy-phenyl)-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]methanone CAS Name: (5-chloro-2-methoxyphenyl)-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]methanone IUPAC Name: (5-chloro-2-methoxyphenyl)-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]methanone Traditional Name: (5-chloro-2-methoxy-phenyl)-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]methanone Formula: C18H18ClNO2S MolecularWeight: 347.85902

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)C3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

C[C@H]1CCN(C2=CC=CC=C2S1)C(=O)C3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C18H18ClNO2S/c1-12-9-10-20(15-5-3-4-6-17(15)23-12)18(21)14-11-13(19)7-8-16(14)22-2/h3-8,11-12H,9-10H2,1-2H3/t12-/m0/s1